5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide

C15H25NO4S — CID 78967386

IUPAC5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25NO4S/c1-11-6-7-12(15(2,3)4)8-14(11)21(18,19)16-9-13(17)10-20-5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeySASURHLKRYWDIF-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.58
Rot. Bonds6

About 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide

5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide (PubChem CID 78967386) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide
PubChem CID78967386
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25NO4S/c1-11-6-7-12(15(2,3)4)8-14(11)21(18,19)16-9-13(17)10-20-5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeySASURHLKRYWDIF-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 79027133
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoate
CID 78907308
4-bromo-3-[(2-hydroxy-3-methoxypropyl)sulfamoyl]-5-methylbenzoic acid
CID 114362508
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
CID 115279308
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzenesulfonamide
CID 104858895
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-4-methylbenzoate
CID 103836778
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide (CID 78967386) is 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide is COCC(O)CNS(=O)(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is SASURHLKRYWDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-11-6-7-12(15(2,3)4)8-14(11)21(18,19)16-9-13(17)10-20-5/h6-8,13,16-17H,9-10H2,1-5H3.
What are the key properties of 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide?
5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 78967386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).